(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 3 P Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 4p- electron | |
| 1 | 2p | 1.225116 | .48466984 |
| 2 | 5p | 1.818468 | .80026505 |
| 3 | 4p | 4.636609 | -.22296175 |
| 4 | 2p | 9.147256 | .03645174 |
| 5 | 5p | 3.480526 | -.31490145 |
| 6 | 3p | 16.033510 | -.00083276 |
| ORB.ENERGY,a.u. | -1.199300 | ||
| NORM | 1.000000 | < R > | 3.108131 | < R2 > | 10.435728 | < 1/R > | .356251 | < 1/R**2 > | .181541 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.823278 | .37037741 |
| 2 | 3p | 2.878490 | -1.15926837 |
| 3 | 5p | 1.884254 | .23999811 |
| 4 | 4p | 2.352847 | -.05023888 |
| 5 | 3p | 20.609511 | -.00141310 |
| 6 | 2p | 10.838455 | .08664543 |
| 7 | 4p | 1.449497 | .05860681 |
| 8 | 5p | 38.541123 | -.00008618 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.242682 | < R2 > | 1.902251 | < 1/R > | 1.114040 | < 1/R**2 > | 2.709603 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.191890 | -.21227850 |
| 2 | 1s | 12.928742 | .21913478 |
| 3 | 1s | 63.229743 | .00009787 |
| 4 | 2s | 5.741564 | -.37914194 |
| 5 | 3s | 2.732591 | 1.20660365 |
| 6 | 4s | 5.012141 | .12922191 |
| 7 | 3s | 38.719910 | -.00053735 |
| 8 | 5s | 3.147983 | -.21346699 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.238359 | < R2 > | 1.743328 | < 1/R > | 1.109089 | < 1/R**2 > | 7.275665 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.424712 | .43578436 |
| 2 | 3p | 8.302459 | .49304572 |
| 3 | 5p | 5.942197 | .01545849 |
| 4 | 4p | 6.974548 | .15783056 |
| 5 | 2p | 23.585796 | .00212860 |
| 6 | 5p | 41.847244 | -.00014965 |
| 7 | 3p | 3.074263 | .00167104 |
| 8 | 4p | 125.172819 | .00000165 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373852 | < R2 > | .172785 | < 1/R > | 3.460543 | < 1/R**2 > | 16.613809 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.330401 | .39151626 |
| 2 | 2s | 7.641592 | -.82722169 |
| 3 | 3s | 7.017844 | -.29736991 |
| 4 | 4s | 25.997592 | .00360953 |
| 5 | 3s | 13.019069 | .01113394 |
| 6 | 4s | 6.257680 | -.03862820 |
| 7 | 5s | 5.079149 | -.00052819 |
| 8 | 4s | 36.335321 | .00059837 |
| 9 | 2s | 46.996786 | -.00009698 |
| 10 | 3s | 1.011841 | .00003456 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410058 | < R2 > | .198758 | < 1/R > | 3.573298 | < 1/R**2 > | 52.456784 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586018 | 1.00955905 |
| 2 | 2s | 22.938667 | -.01619104 |
| 3 | 3s | 15.904501 | .01520878 |
| 4 | 4s | 32.631691 | -.00071726 |
| 5 | 4s | 11.948689 | .00373475 |
| 6 | 5s | 43.224179 | .00038387 |
| 7 | 5s | 14.121522 | -.00252351 |
| 8 | 2s | 31.089613 | -.00307000 |
| 9 | 2s | 64.063480 | .00012067 |
| 10 | 5s | 3.898884 | -.00000342 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086076 | < R2 > | .009952 | < 1/R > | 17.556929 | < 1/R**2 > | 621.328551 |
Total Energy= -520.18247068 a.u.
Kinetic Energy= 520.12326915 a.u.
Potential Energy= -1040.30573983 a.u.
Virial Ratio = -2.00011382